SCHEMBL4167677

SCHEMBL4167677

CCCN(CCC)S(=O)(=O)c1c(CC)cccc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 13/20 0.42
CA9 Q16790 13/20 0.42
CA2 P00918 3/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
ABCC2 Q92887 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
UGT1A7 Q9HAW7 1/20 0.42
SLC22A11 Q9NSA0 1/20 0.42
CA1 P00915 10/20 0.41
TP53 P04637 1/20 0.38
KEAP1 Q14145 1/20 0.38
PARP1 P09874 1/20 0.38
ESR1 P03372 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6455529 0.78 CA12 (0.45) CA12CA9CA2RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL18050031 0.77 PARP1 (0.42) KEAP1PARP1
SCHEMBL18205947 0.70 BID (0.41) CA12CA9CA2SMN1; SMN2CA1
SCHEMBL72113 0.69 PARP1 (0.49) KEAP1PARP1
SCHEMBL28383366 0.69 BID (0.47) CA2
SCHEMBL6555382 0.69 MAPT (0.52) PARP1
SCHEMBL162322 0.69 MAPT (0.52) PARP1
SCHEMBL28203375 0.68 KDM4E (0.44) PARP1
SCHEMBL4931045 0.68 CA9 (0.73) CA12CA9CA2RAB9ASMN1; SMN2
SCHEMBL6131533 0.68 TP53 (0.47) TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 US disclosed
WO-2007005887-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS, COMPOSITIONS AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-01-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA CA12 3565/4885CA9 2903/4885CA2 2876/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.